CID 22309133

5-fluoro-4-(piperidin-4-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C9H12FN3
SMILES
C1CNCCC1C2=NC=NC=C2F
InChI
InChI=1S/C9H12FN3/c10-8-5-12-6-13-9(8)7-1-3-11-4-2-7/h5-7,11H,1-4H2
InChIKey
RWWBCERSQVBXBH-UHFFFAOYSA-N
Compound name
5-fluoro-4-piperidin-4-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.10153 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.10881 139.6
[M+Na]+ 204.09075 145.8
[M-H]- 180.09425 138.6
[M+NH4]+ 199.13535 154.2
[M+K]+ 220.06469 141.8
[M+H-H2O]+ 164.09879 129.6
[M+HCOO]- 226.09973 154.6
[M+CH3COO]- 240.11538 150.0
[M+Na-2H]- 202.07620 145.4
[M]+ 181.10098 131.5
[M]- 181.10208 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.